SCHEMBL557611

SCHEMBL557611

Nc1cnc(-c2cccnc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
PTK2 Q05397 1/20 0.56
CYP2A6 P11509 7/20 0.53
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2E1 P05181 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
PIM1 P11309 5/20 0.49
MAPK1 P28482 1/20 0.49
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
MEN1 O00255 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30414619 1.00 HSP90AA1 (0.56) HSP90AA1HSP90AB1PTK2CYP2A6CYP3A4
SCHEMBL27854767 0.89 HSP90AA1 (0.46) HSP90AA1HSP90AB1PTK2CYP2A6CYP3A4
SCHEMBL27735989 0.89 CYP2A6 (0.54) HSP90AA1HSP90AB1PTK2CYP2A6CYP3A4
SCHEMBL27735998 0.83 PIM1 (0.46) HSP90AA1HSP90AB1PTK2CYP2A6CYP3A4
SCHEMBL934072 0.79 FEN1 (0.62) HSP90AA1ALOX5APFEN1
SCHEMBL29817861 0.79 FEN1 (0.62) HSP90AA1ALOX5APFEN1
SCHEMBL27736012 0.78 MAPK1 (0.44) HSP90AA1ALDH1A1CYP2D6MAPK1ALOX5AP
SCHEMBL14970102 0.77 CYP2A6 (0.62) HSP90AA1HSP90AB1PTK2CYP2A6CYP3A4
SCHEMBL19556283 0.77 CYP2A6 (0.53) HSP90AA1HSP90AB1PTK2CYP2A6CYP3A4
SCHEMBL15106517 0.77 CYP2A6 (0.62) HSP90AA1HSP90AB1PTK2CYP2A6CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750880-B1 PYRAZINE-2(1H)-KETONE COMPOUND ACTING AS FGFR INHIBITOR ZHANGZHOU PIEN TZE HUANG PHARM (CN) 2022-12-21 EP disclosed
US-11434245-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-09-06 US disclosed
US-11434245-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-09-06 US disclosed
US-11286248-B2 Pyrazine-2(1H)-ketone compound acting as FGFR inhibitor ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2022-03-29 US disclosed
US-20210047336-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-18 US disclosed
US-20210047336-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-18 US disclosed
US-20210040070-A1 PYRAZINE-2(1H)-KETONE COMPOUND ACTING AS FGFR INHIBITOR ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2021-02-11 US disclosed
US-10870653-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-22 US disclosed
US-10870653-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-22 US disclosed
EP-3750880-A1 PYRAZINE-2(1H)-KETONE COMPOUND ACTING AS FGFR INHIBITOR Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2020-12-16 EP disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 HSP90AA1 4163/4885HSP90AB1 4032/4885PTK2 3244/4885
US-20210040070-A1 PYRAZINE-2(1H)-KETONE COMPOUND ACTING AS FGFR INHIBITOR FGFR1, FGFR2, FGFR3 HSP90AA1 778/4885HSP90AB1 508/4885PTK2 157/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 HSP90AA1 4163/4885HSP90AB1 4032/4885PTK2 3244/4885
US-11434245-B2 WNT pathway modulators WNT1, WNT3A, WNT3 HSP90AA1 3518/4885HSP90AB1 2347/4885PTK2 797/4885
US-10870653-B2 WNT pathway modulators WNT1, WNT3A, WNT3 HSP90AA1 4499/4885HSP90AB1 3935/4885PTK2 1140/4885
US-20210047336-A1 WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 HSP90AA1 3219/4885HSP90AB1 2424/4885PTK2 1560/4885
US-11286248-B2 Pyrazine-2(1H)-ketone compound acting as FGFR inhibitor FGFR1, FGFR2, FGFR3 HSP90AA1 778/4885HSP90AB1 508/4885PTK2 157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.